Inducing opto-electronic and spintronic trends in bilayer h-BN through TMO3 clusters incorporation: Ab-initio study<xref rid="cpb_28_11_116301fn1" ref-type="fn">*</xref> <fn id="cpb_28_11_116301fn1"> <label>*</label> Project supported by the National Natural Science Foundation of China (Grant No. 51876049) and the Fund from the Higher Education Commission, Pakistan under SRGP (Grant No. 21-1778/SRGP/R&D/HEC/2017). </fn>

Inducing opto-electronic and spintronic trends in bilayer h-BN through TMO₃ clusters incorporation: Ab-initio study* *

Project supported by the National Natural Science Foundation of China (Grant No. 51876049) and the Fund from the Higher Education Commission, Pakistan under SRGP (Grant No. 21-1778/SRGP/R&D/HEC/2017).

Ahmed Irfan¹, Rafique Muhammad^{1, 2, †}, Mahar Mukhtiar Ahmed³, Larik Abdul Sattar³, Tunio Mohsin Ali¹, Shuai Yong^{2, ‡}

(a)–(f) Charge difference diagrams for different TMO₃ clusters substituted BL/h-BN 4 × 3 supercell models, where electron gain and loss configurations are illustrated by yellow and cyan isosurface (in 0.01 e/Å³) respectively.